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	hartrees
Energy at 0K	-95.848156
Energy at 298.15K
HF Energy	-95.848156
Nuclear repulsion energy	42.009522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3537	3537	0.90	126.07	0.07	0.14
2	A'	3095	3095	33.93	102.83	0.32	0.48
3	A'	3000	3000	89.65	174.41	0.09	0.16
4	A'	1654	1654	21.21	2.61	0.71	0.83
5	A'	1477	1477	6.81	5.55	0.67	0.80
6	A'	1435	1435	1.66	0.88	0.45	0.62
7	A'	1165	1165	5.79	0.57	0.07	0.14
8	A'	1092	1092	13.63	7.74	0.15	0.25
9	A'	832	832	139.05	1.80	0.21	0.35
10	A"	3622	3622	1.83	49.95	0.75	0.86
11	A"	3135	3135	29.08	58.32	0.75	0.86
12	A"	1497	1497	4.68	5.86	0.75	0.86
13	A"	1340	1340	0.19	0.26	0.75	0.86
14	A"	972	972	0.10	0.08	0.75	0.86
15	A"	304	304	32.35	0.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.702	0.000
N2	0.050	-0.756	0.000
H3	-0.948	1.173	0.000
H4	0.593	1.064	0.882
H5	0.593	1.064	-0.882
H6	-0.443	-1.112	-0.812
H7	-0.443	-1.112	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4576	1.1037	1.0967	1.0967	2.0479	2.0479
N2	1.4576		2.1712	2.0932	2.0932	1.0146	1.0146
H3	1.1037	2.1712		1.7787	1.7787	2.4766	2.4766
H4	1.0967	2.0932	1.7787		1.7637	2.9454	2.4109
H5	1.0967	2.0932	1.7787	1.7637		2.4109	2.9454
H6	2.0479	1.0146	2.4766	2.9454	2.4109		1.6231
H7	2.0479	1.0146	2.4766	2.4109	2.9454	1.6231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.579	C1	N2	H7	110.579
N2	C1	H3	115.228	N2	C1	H4	109.253
N2	C1	H5	109.253	H3	C1	H4	107.876
H3	C1	H5	107.876	H4	C1	H5	107.046
H6	N2	H7	106.244

All results from a given calculation for CH₃NH₂ (methyl amine)

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	1.094
2	N	-0.298
3	H	-0.268
4	H	-0.259
5	H	-0.259
6	H	-0.005
7	H	-0.005

	x	y	z	Total
	-1.257	0.351	0.000	1.306
CHELPG
AIM
ESP

	x	y	z
x	3.722	-0.024	0.000
y	-0.024	4.258	0.000
z	0.000	0.000	3.608

<r²>	26.767
(<r²>)^1/2	5.174

All results from a given calculation for CH3NH2 (methyl amine)

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃NH₂ (methyl amine)